2-(1,3-benzodioxol-5-yl)-5-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-chloranyl-4-methyl-quinolin-2-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-chloro-4-methyl-2-quinolyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-chloro-4-methyl-2-quinolinyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(3-chloro-4-methyl-2-quinolyl)methylthio]-1,3,4-oxadiazole Formula: C20H14ClN3O3S MolecularWeight: 411.86146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C20H14ClN3O3S/c1-11-13-4-2-3-5-14(13)22-15(18(11)21)9-28-20-24-23-19(27-20)12-6-7-16-17(8-12)26-10-25-16/h2-8H,9-10H2,1H3